[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

C22H24ClN5O2 — CID 56587234

IUPAC[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2ccc(CNc3ncc(C(=O)N4CCCCC4)cc3Cl)n2)cc1
InChIInChI=1S/C22H24ClN5O2/c1-30-19-7-5-18(6-8-19)28-12-9-17(26-28)15-25-21-20(23)13-16(14-24-21)22(29)27-10-3-2-4-11-27/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,24,25)
InChIKeyXTAQHTRMSZZFGS-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.17
Rot. Bonds6

About [5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 56587234) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is [5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID56587234
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2ccc(CNc3ncc(C(=O)N4CCCCC4)cc3Cl)n2)cc1
InChIInChI=1S/C22H24ClN5O2/c1-30-19-7-5-18(6-8-19)28-12-9-17(26-28)15-25-21-20(23)13-16(14-24-21)22(29)27-10-3-2-4-11-27/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,24,25)
InChIKeyXTAQHTRMSZZFGS-UHFFFAOYSA-N
XLogP4.17
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
[5-chloro-6-[(5-chloro-2-methoxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271011
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine
CID 139010286
methyl 3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate
CID 133449717
[6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271152
[5-chloro-6-[(3-methylthiophen-2-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270919
[5-chloro-6-(thiophen-3-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270974
[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270733
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 56587234) is [5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is COc1ccc(-n2ccc(CNc3ncc(C(=O)N4CCCCC4)cc3Cl)n2)cc1.
What is the InChIKey of [5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is XTAQHTRMSZZFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-30-19-7-5-18(6-8-19)28-12-9-17(26-28)15-25-21-20(23)13-16(14-24-21)22(29)27-10-3-2-4-11-27/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,24,25).
What are the key properties of [5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 425.92 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56587234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).